[3-[[furan-2-ylmethyl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[furan-2-ylmethyl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[2-furylmethyl(8-quinolylsulfonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-furanylmethyl(8-quinolinylsulfonyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-ylmethyl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[2-furfuryl(8-quinolylsulfonyl)amino]methyl]phenyl] ester Formula: C27H21FN2O6S2 MolecularWeight: 552.593843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)S(=O)(=O)N(CC3=CC(=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)F)CC5=CC=CO5)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)S(=O)(=O)N(CC3=CC(=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)F)CC5=CC=CO5)N=CC=C2

InChI

InChI=1S/C27H21FN2O6S2/c28-22-11-13-25(14-12-22)38(33,34)36-23-8-1-5-20(17-23)18-30(19-24-9-4-16-35-24)37(31,32)26-10-2-6-21-7-3-15-29-27(21)26/h1-17H,18-19H2